KEGG   COMPOUND: C14399
Entry
C14399                      Compound                               
Name
1,3-Dichloro-2-propanol
Formula
C3H6Cl2O
Exact mass
127.9796
Mol weight
128.9851
Structure
Other DBs
CAS: 96-23-1
PubChem: 17395399
ChEBI: 18917
NIKKAJI: J3.964K
LinkDB
KCF data

ATOM        6
            1   C1b C    27.6915  -15.9046
            2   C1c C    28.9124  -16.6095
            3   X   Cl   26.4706  -16.6095
            4   C1b C    30.1162  -15.9142
            5   X   Cl   31.3119  -16.6045
            6   O1a O    28.9125  -18.0191
BOND        5
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     4   5 1
            5     2   6 1

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